CAS RN: 2152628-33-4

LOXO-292

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15 package records14 with current stock3 grade groups
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Batchno.20250629 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
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Batchno.20250111 1g In stock Shanghai, Tianjin Inquiry
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Batchno.20250117 250mg In stock Shanghai Inquiry
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Batchno.20260324 5mg / 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong, Chongqing Inquiry
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Batchno.20251201 1g In stock Shanghai Inquiry
Batchno.20250305 250mg In stock Shanghai Inquiry
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Batchno.20250920 10mg In stock Inquiry
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  • Product code: starshine_CAS2152628-33-4
  • Purity/Analytical Methods: >99.0%
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2152628-33-4 / 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

Standard CAS: 2152628-33-4 Multi CAS: No

Basic Information

CAS
2152628-33-4
Multi CAS
No
Molecular Formula
C29H31N7O3
Molecular Weight
525.600000
Exact Mass
525.248838
SMILES
CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O
InChI
InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3
InChIKey
XIIOFHFUYBLOLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
1
Molar refractivity
145.67
TPSA
112.04

LogP / Solubility

WLOGP
3.28
MLOGP
2.93
XLogP3
2.5
Consensus LogP
2.9
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9

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